methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(4-benzyloxyanilino)-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 2-[[2-(4-benzoxyanilino)-2-keto-ethyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5S/c1-3-4-16-32-27(34)24-15-10-21(28(35)36-2)17-25(24)31-29(32)38-19-26(33)30-22-11-13-23(14-12-22)37-18-20-8-6-5-7-9-20/h5-15,17H,3-4,16,18-19H2,1-2H3,(H,30,33)